(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate

C21H41NO2 — CID 145189321

IUPAC(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate
SMILESCCCN1C(C)(C)CC(OC(=O)CC(C)CC(C)(C)C)CC1(C)C
InChIInChI=1S/C21H41NO2/c1-10-11-22-20(6,7)14-17(15-21(22,8)9)24-18(23)12-16(2)13-19(3,4)5/h16-17H,10-15H2,1-9H3
InChIKeyDCZCGPRRBRTLPA-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.42
Rot. Bonds6

About (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate

(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate (PubChem CID 145189321) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate
PubChem CID145189321
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate
SMILESCCCN1C(C)(C)CC(OC(=O)CC(C)CC(C)(C)C)CC1(C)C
InChIInChI=1S/C21H41NO2/c1-10-11-22-20(6,7)14-17(15-21(22,8)9)24-18(23)12-16(2)13-19(3,4)5/h16-17H,10-15H2,1-9H3
InChIKeyDCZCGPRRBRTLPA-UHFFFAOYSA-N
XLogP5.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate with MolForge

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Related Compounds

bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate
CID 58097712
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
[(3R)-3,5,5-trimethylhexanoyl] (3S)-3,5,5-trimethylhexaneperoxoate
CID 98080102
tetradecyl 3,5,5-trimethylhexanoate
CID 91693568
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
CID 69301568
2-(3,5,5-trimethylhexanoyloxy)ethyl 3,5,5-trimethylhexanoate
CID 91728705
[(2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,5,5-trimethylhexanoate
CID 155459372
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
bis(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)propyl]-2-ethylpropanedioate
CID 88768078
2,2,6,6-tetramethyl-4-prop-1-enoxy-1-propylpiperidine
CID 152521875

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate?
The IUPAC name of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate (CID 145189321) is (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate is CCCN1C(C)(C)CC(OC(=O)CC(C)CC(C)(C)C)CC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate?
The InChIKey is DCZCGPRRBRTLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-10-11-22-20(6,7)14-17(15-21(22,8)9)24-18(23)12-16(2)13-19(3,4)5/h16-17H,10-15H2,1-9H3.
What are the key properties of (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate?
(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate has a molecular weight of 339.56 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) 3,5,5-trimethylhexanoate is sourced from PubChem (CID 145189321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).